SCHEMBL2600341

SCHEMBL2600341

CC(C)S(=O)(=O)N1CCC(N(C)C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 3/20 0.47
NPY5R Q15761 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
CCR5 P51681 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2600331 0.90 NPY5R (0.44) MAPTTP53NPY5RSMN1; SMN2MEN1
SCHEMBL2600334 0.89 SMN1; SMN2 (0.51) MAPTTP53NPY5RSMN1; SMN2MEN1
SCHEMBL2600336 0.89 MAPT (0.49) MAPTKDM4ETP53NPY5RSMN1; SMN2
SCHEMBL2600338 0.87 MAPT (0.47) MAPTKDM4ETP53NPY5RSMN1; SMN2
SCHEMBL2600333 0.81 NPY5R (0.54) NPY5R
SCHEMBL2600330 0.81 NPY5R (0.45) MAPTTP53NPY5RSMN1; SMN2MEN1
SCHEMBL2600329 0.81 NPY5R (0.44) MAPTTP53NPY5RSMN1; SMN2MEN1
SCHEMBL2600344 0.79 NPY5R (0.43) MAPTTP53NPY5RSMN1; SMN2MEN1
SCHEMBL2600332 0.79 SMN1; SMN2 (0.54) MAPTKDM4ETP53NPY5RSMN1; SMN2
SCHEMBL2600335 0.79 NPY5R (0.55) MAPTTP53NPY5RSMN1; SMN2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372833-B2 Urea derivative SHIONOGI & CO., LTD. (JP) 2013-02-12 US disclosed
US-8372833-B2 Urea derivative SHIONOGI & CO., LTD. (JP) 2013-02-12 US disclosed
US-20120095231-A1 UREA DERIVATIVE YANO TOSHISADA (JP) 2012-04-19 US disclosed
US-20120095231-A1 UREA DERIVATIVE YANO TOSHISADA (JP) 2012-04-19 US disclosed
US-8088777-B2 Urea derivative SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-8088777-B2 Urea derivative SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20090203712-A1 Urea Derivative SHIONOGI &CO., LTD. 2009-08-13 US disclosed
US-20090203712-A1 Urea Derivative SHIONOGI &CO., LTD. 2009-08-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120095231-A1 UREA DERIVATIVE NPY5R, NPY1R, NPY2R MAPT 2307/4885KDM4E 2072/4885TP53 3688/4885
US-20090203712-A1 Urea Derivative NPY5R, NPY1R, NPY2R MAPT 2336/4885KDM4E 2024/4885TP53 3658/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.